S-[2-[[2-(2-methylpropanoylamino)-3-(2-methylpropanoylsulfanyl)propanoyl]amino]ethyl] benzenecarbothioate

Systemtic Name: S-[2-[[2-(2-methylpropanoylamino)-3-(2-methylpropanoylsulfanyl)propanoyl]amino]ethyl] benzenecarbothioate Openeye Name: S-[2-[[2-(2-methylpropanoylamino)-3-(2-methylpropanoylsulfanyl)propanoyl]amino]ethyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-[[2-[(2-methyl-1-oxopropyl)amino]-3-[(2-methyl-1-oxopropyl)thio]-1-oxopropyl]amino]ethyl] ester IUPAC Name: S-[2-[[2-(2-methylpropanoylamino)-3-(2-methylpropanoylsulfanyl)propanoyl]amino]ethyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-[[2-(isobutyrylamino)-3-(isobutyrylthio)propanoyl]amino]ethyl] ester Formula: C20H28N2O4S2 MolecularWeight: 424.57732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(CSC(=O)C(C)C)C(=O)NCCSC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)C(=O)NC(CSC(=O)C(C)C)C(=O)NCCSC(=O)C1=CC=CC=C1

InChI

InChI=1S/C20H28N2O4S2/c1-13(2)17(23)22-16(12-28-19(25)14(3)4)18(24)21-10-11-27-20(26)15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3,(H,21,24)(H,22,23)